6-bromo-8-fluoro-2-methylimidazo[1,2-a]pyridine;6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2-(1-cyclopropylpiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;bis(8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C86H106B4BrClF4N16O10 — CID 167703233

About 6-bromo-8-fluoro-2-methylimidazo[1,2-a]pyridine;6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2-(1-cyclopropylpiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;bis(8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

6-bromo-8-fluoro-2-methylimidazo[1,2-a]pyridine;6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2-(1-cyclopropylpiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;bis(8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 167703233) has the molecular formula C86H106B4BrClF4N16O10 and a molecular weight of 1758.49 g/mol. Its IUPAC name is 6-bromo-8-fluoro-2-methylimidazo[1,2-a]pyridine;6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2-(1-cyclopropylpiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;bis(8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 6-bromo-8-fluoro-2-methylimidazo[1,2-a]pyridine;6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2-(1-cyclopropylpiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;bis(8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 167703233
• Molecular Formula: C86H106B4BrClF4N16O10
• Molecular Weight: 1758.49 g/mol
• Exact Mass: 1756.75
• IUPAC Name: 6-bromo-8-fluoro-2-methylimidazo[1,2-a]pyridine;6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2-(1-cyclopropylpiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;bis(8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cn2cc(-c3cc4c(=O)[nH]c(C5CCN(C6CC6)CC5)nc4cn3)cc(F)c2n1.Cc1cn2cc(B3OC(C)(C)C(C)(C)O3)cc(F)c2n1.Cc1cn2cc(B3OC(C)(C)C(C)(C)O3)cc(F)c2n1.Cc1cn2cc(Br)cc(F)c2n1.O=c1[nH]c(C2CCN(C3CC3)CC2)nc2cnc(Cl)cc12
• InChI: InChI=1S/C23H23FN6O.C15H17ClN4O.2C14H18BFN2O2.C12H24B2O4.C8H6BrFN2/c1-13-11-30-12-15(8-18(24)22(30)26-13)19-9-17-20(10-25-19)27-21(28-23(17)31)14-4-6-29(7-5-14)16-2-3-16;16-13-7-11-12(8-17-13)18-14(19-15(11)21)9-3-5-20(6-4-9)10-1-2-10;2*1-9-7-18-8-10(6-11(16)12(18)17-9)15-19-13(2,3)14(4,5)20-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-5-3-12-4-6(9)2-7(10)8(12)11-5/h8-12,14,16H,2-7H2,1H3,(H,27,28,31);7-10H,1-6H2,(H,18,19,21);2*6-8H,1-5H3;1-8H3;2-4H,1H3
• InChIKey: YSEMHLGSRADEMI-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 266.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 8
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1758.49
LogP ≤ 5	14.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-2-methylimidazo[1,2-a]pyridine;6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2-(1-cyclopropylpiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;bis(8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 6-bromo-8-fluoro-2-methylimidazo[1,2-a]pyridine;6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2-(1-cyclopropylpiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;bis(8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 167703233) is 6-bromo-8-fluoro-2-methylimidazo[1,2-a]pyridine;6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2-(1-cyclopropylpiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;bis(8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 6-bromo-8-fluoro-2-methylimidazo[1,2-a]pyridine;6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2-(1-cyclopropylpiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;bis(8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 6-bromo-8-fluoro-2-methylimidazo[1,2-a]pyridine;6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2-(1-cyclopropylpiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;bis(8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cn2cc(-c3cc4c(=O)[nH]c(C5CCN(C6CC6)CC5)nc4cn3)cc(F)c2n1.Cc1cn2cc(B3OC(C)(C)C(C)(C)O3)cc(F)c2n1.Cc1cn2cc(B3OC(C)(C)C(C)(C)O3)cc(F)c2n1.Cc1cn2cc(Br)cc(F)c2n1.O=c1[nH]c(C2CCN(C3CC3)CC2)nc2cnc(Cl)cc12.

What is the InChIKey of 6-bromo-8-fluoro-2-methylimidazo[1,2-a]pyridine;6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2-(1-cyclopropylpiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;bis(8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is YSEMHLGSRADEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O.C15H17ClN4O.2C14H18BFN2O2.C12H24B2O4.C8H6BrFN2/c1-13-11-30-12-15(8-18(24)22(30)26-13)19-9-17-20(10-25-19)27-21(28-23(17)31)14-4-6-29(7-5-14)16-2-3-16;16-13-7-11-12(8-17-13)18-14(19-15(11)21)9-3-5-20(6-4-9)10-1-2-10;2*1-9-7-18-8-10(6-11(16)12(18)17-9)15-19-13(2,3)14(4,5)20-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-5-3-12-4-6(9)2-7(10)8(12)11-5/h8-12,14,16H,2-7H2,1H3,(H,27,28,31);7-10H,1-6H2,(H,18,19,21);2*6-8H,1-5H3;1-8H3;2-4H,1H3.

What are the key properties of 6-bromo-8-fluoro-2-methylimidazo[1,2-a]pyridine;6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2-(1-cyclopropylpiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;bis(8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

6-bromo-8-fluoro-2-methylimidazo[1,2-a]pyridine;6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2-(1-cyclopropylpiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;bis(8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1758.49 g/mol, XLogP of 14.69, 8 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-fluoro-2-methylimidazo[1,2-a]pyridine;6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;2-(1-cyclopropylpiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;bis(8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 167703233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).